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Target
Protein kinase C theta type
Ligand
BDBM50517659
Substrate
n/a
Meas. Tech.
ChEMBL_1869435 (CHEMBL4370501)
IC50
18±n/a nM
Citation
 Kunikawa, S; Tanaka, A; Takasuna, Y; Tasaki, M; Chida, N Discovery of 2,4-diamino-5-cyanopyrimidine derivatives as protein kinase C theta inhibitors with mitigated time-dependent drug-drug interactions. Bioorg Med Chem 27:790-799 (2019) [PubMed]  Article 
Target
Name:
Protein kinase C theta type
Synonyms:
KPCT_HUMAN | PRKCQ | PRKCT | Protein kinase C theta | Protein kinase C theta type (PRKCQ) | Protein kinase C, PKC; classical/novel | nPKC-theta
Type:
Serine/threonine-protein kinase
Mol. Mass.:
81878.04
Organism:
Homo sapiens (Human)
Description:
Full-length human PKC theta (Panvera Catalog No. P2996).
Residue:
706
Sequence:
MSPFLRIGLSNFDCGSCQSCQGEAVNPYCAVLVKEYVESENGQMYIQKKPTMYPPWDSTFDAHINKGRVMQIIVKGKNVDLISETTVELYSLAERCRKNNGKTEIWLELKPQGRMLMNARYFLEMSDTKDMNEFETEGFFALHQRRGAIKQAKVHHVKCHEFTATFFPQPTFCSVCHEFVWGLNKQGYQCRQCNAAIHKKCIDKVIAKCTGSAINSRETMFHKERFKIDMPHRFKVYNYKSPTFCEHCGTLLWGLARQGLKCDACGMNVHHRCQTKVANLCGINQKLMAEALAMIESTQQARCLRDTEQIFREGPVEIGLPCSIKNEARPPCLPTPGKREPQGISWESPLDEVDKMCHLPEPELNKERPSLQIKLKIEDFILHKMLGKGSFGKVFLAEFKKTNQFFAIKALKKDVVLMDDDVECTMVEKRVLSLAWEHPFLTHMFCTFQTKENLFFVMEYLNGGDLMYHIQSCHKFDLSRATFYAAEIILGLQFLHSKGIVYRDLKLDNILLDKDGHIKIADFGMCKENMLGDAKTNTFCGTPDYIAPEILLGQKYNHSVDWWSFGVLLYEMLIGQSPFHGQDEEELFHSIRMDNPFYPRWLEKEAKDLLVKLFVREPEKRLGVRGDIRQHPLFREINWEELERKEIDPPFRPKVKSPFDCSNFDKEFLNEKPRLSFADRALINSMDQNMFRNFSFMNPGMERLIS
  
Inhibitor
Name:
BDBM50517659
Synonyms:
CHEMBL4439095
Type:
Small organic molecule
Emp. Form.:
C32H45N7O2
Mol. Mass.:
559.7454
SMILES:
CC(C)Oc1ncccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1 |r,wU:33.35,wD:30.31,TLB:38:37:26:24.23.22,THB:38:23:27.37.39:26,22:23:27:39.21.26,22:21:27:24.38.23,28:27:26:24.23.22,(65.99,-41.77,;64.65,-41,;63.32,-41.78,;64.65,-39.46,;63.31,-38.7,;61.98,-39.47,;60.64,-38.7,;60.64,-37.16,;61.97,-36.39,;63.3,-37.16,;64.64,-36.4,;64.64,-34.86,;65.97,-34.09,;67.31,-34.86,;68.65,-34.09,;68.64,-32.54,;69.97,-31.76,;71.3,-30.98,;67.3,-31.77,;67.3,-30.23,;65.96,-29.47,;64.63,-30.23,;65.05,-31.68,;63.86,-32.64,;62.71,-31.77,;62.26,-30.43,;63.41,-29.49,;60.51,-30.3,;59.06,-29.78,;58.79,-28.26,;57.34,-27.74,;57.07,-26.23,;55.63,-25.71,;54.45,-26.69,;53,-26.17,;54.72,-28.21,;56.17,-28.74,;61.78,-31.2,;62.23,-32.65,;63.01,-30.2,;65.98,-32.54,)|
Structure:
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